5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(2,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 5-azanyl-1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-N-(2,4-dimethoxyphenyl)-1,2,3-triazole-4-carboxamide Openeye Name: 5-amino-1-[(4-bromo-2-fluoro-phenyl)methyl]-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide CAS Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,4-dimethoxyphenyl)-4-triazolecarboxamide IUPAC Name: 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide Traditional Name: 5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(2,4-dimethoxyphenyl)triazole-4-carboxamide Formula: C18H17BrFN5O3 MolecularWeight: 450.261683

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C2=C(N(N=N2)CC3=C(C=C(C=C3)Br)F)N)OC

InChI

InChI=1S/C18H17BrFN5O3/c1-27-12-5-6-14(15(8-12)28-2)22-18(26)16-17(21)25(24-23-16)9-10-3-4-11(19)7-13(10)20/h3-8H,9,21H2,1-2H3,(H,22,26)